ethyl 4-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[4-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C28H30N2O4S/c1-3-5-11-25(31)29-22-16-18-24(19-17-22)35-26(20-9-7-6-8-10-20)27(32)30-23-14-12-21(13-15-23)28(33)34-4-2/h6-10,12-19,26H,3-5,11H2,1-2H3,(H,29,31)(H,30,32)